Kharlamova, M.V.; Tretyakov, Yu. D.; Yashina, L.V.; Eliseev, A.A.; Volykhov, A.A.; Neudachina, V.S.; Brzhezinskaya, M.M.; Zyubina, T.S.; Lukashin, A.V.: Single-walled carbon nanotubes filled with nickel halogenides: Atomic structure and doping effect. Physica Status Solidi B 249 (2012), p. 2328-2332
10.1002/pssb.201200060
Abstract:
NiX2@SWCNT (X¼Cl, Br) nanostructures were prepared by capillary filling of single-walled carbon nanotube channels with nickel halogenide melts with slow cooling down to room temperature for better crystallization. TheHRTEMdata indicated formation of well-ordered 1D NiBr2 crystals, with the experimental atomic structure representing a fragment of the bulk structure. The lattice constant coincides with the corresponding distance in bulk lattice. The 1D crystal structure was modeled using DFT within the PW-GGA approach. According to the Raman, X-ray photoelectron, X-ray and optical absorption spectroscopic data and the DFT results obtained within the rigid band model, nickel halogenides display acceptor behavior with the corresponding charge transfer from the single-walled carbon nanotube walls to the NiX2 nanocrystals.